Compound Identification
SMILES
COCCOCOC1=C(C=C(C(=O)\C=C\C2=CC=C(C=C2)C(O)=O)C(CC#C)=C1)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=BWVMQDGAEFZKDA-JXMROGBWSA-N
Formula
C33H36O6
Mass
528.645
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Benzoic acids Aryl ketones Styrenes Benzoyl derivatives Phenoxy compounds Phenol ethers Acryloyl compounds Enones Dialkyl ethers Carboxylic acids Acetylides Monocarboxylic acids and derivatives Acetals Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Acetylide - Dialkyl ether - Ether - Aldehyde - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available